BEGIN_DIRECT_NEMD
Setting up Verlet run ...
  Unit style    : metal
  Current step  : 0
  Time step     : 0.001
Per MPI rank memory allocation (min/avg/max) = 4.36 | 4.36 | 4.36 Mbytes
   Step          Time         Atoms         Temp           c_Th           c_Tc          PotEng         KinEng         TotEng       f_hotbath      f_coldbath      Ecouple       Econserve          Lx             Ly             Lz      
         0  0       1536  285.5807849139197 293.0433415619232 305.7285674177955 -7049.013313921623 56.66331797913217 -6992.349995942491 -1.388618155389583e-19 2.688275682391137e-18 2.549413866852179e-18 -6992.349995942491 21.72 21.72 65.16
      1000  1       1536  288.9496662761558 311.926000825909 262.3769218316276 -7050.109443527883 57.33175229245577 -6992.777691235427 -2.430998305612219 2.858920037343638 0.4279217317314186 -6992.349769503696 21.72 21.72 65.16
      2000  2       1536  300.0270029894627 291.391358017308 279.9376053833407 -7050.888659771968 59.52965455236176 -6991.359005219607 -5.334781856554815 4.342081159689924 -0.9927006968648913 -6992.351705916471 21.72 21.72 65.16
      3000  3       1536  301.5356230192168 308.9002674140875 278.8698507869913 -7051.124818233581 59.82898637358849 -6991.295831859993 -8.577712025138235 7.520262884275419 -1.057449140862816 -6992.353281000856 21.72 21.72 65.16
      4000  4       1536  296.2504373442511 305.5899326569966 289.638224768879 -7051.83274933648 58.78032983820707 -6993.052419498273 -10.22941163356266 10.93194489772145 0.7025332641587916 -6992.349886234114 21.72 21.72 65.16
      5000  5       1536  299.2409954257058 340.7758773151162 300.7558625852028 -7051.573399616896 59.37369939406009 -6992.199700222836 -13.69934681544347 13.54955749972042 -0.1497893157230479 -6992.349489538559 21.72 21.72 65.16
      6000  6       1536  303.9188144959628 363.9842015235291 273.0183060814755 -7050.271511048874 60.30184569601356 -6989.969665352861 -17.10363099943068 14.7234717306673 -2.380159268763382 -6992.349824621624 21.72 21.72 65.16
      7000  7       1536  301.6670068137326 318.578869503477 312.4643481024665 -7051.584191906119 59.85505480017467 -6991.729137105945 -18.85024781423085 18.22633992438511 -0.6239078898457429 -6992.353044995791 21.72 21.72 65.16
      8000  8       1536  290.4336831064234 313.7086607217196 267.6710613639639 -7050.644413146229 57.62620248652322 -6993.018210659705 -20.44508791233643 21.11328774062031 0.6681998282838784 -6992.350010831421 21.72 21.72 65.16
      9000  9       1536  305.4017292952515 353.1355921003548 280.0337094374343 -7052.612406166378 60.59607723135086 -6992.016328935027 -24.17772128534968 23.84141356911353 -0.3363077162361492 -6992.352636651262 21.72 21.72 65.16
     10000  10       1536  301.107169075966 352.2156683687345 265.8597413709785 -7051.997706072426 59.74397497468379 -6992.253731097742 -27.6900078030014 27.59232795561944 -0.09767984738196844 -6992.351410945124 21.72 21.72 65.16
     11000  11       1536  297.0844723526246 331.3864953285859 249.4251198520259 -7052.160519468757 58.94581432939733 -6993.214705139359 -29.65698248671238 30.51984162483451 0.8628591381221327 -6992.351846001237 21.72 21.72 65.16
     12000  12       1536  302.4045801871862 324.1509879351019 278.9906519517925 -7050.311701931707 60.00139992141783 -6990.310302010289 -33.67663339462516 31.63681515788124 -2.039818236743919 -6992.350120247032 21.72 21.72 65.16
     13000  13       1536  296.8782287556934 338.4141210707735 273.9635181314927 -7049.065315826025 58.9048926458268 -6990.160423180198 -38.13710959760967 35.9543395720589 -2.182770025550774 -6992.343193205748 21.72 21.72 65.16
     14000  14       1536  298.9612119786419 321.8713759928746 308.0540541087726 -7050.654479912971 59.31818635094321 -6991.336293562027 -40.58414523716263 39.56877657751978 -1.015368659642853 -6992.35166222167 21.72 21.72 65.16
     15000  15       1536  302.1242590585418 312.0315116906706 241.8250868832903 -7050.703254257149 59.94578019457438 -6990.757474062574 -44.45262656411397 42.86288370063614 -1.589742863477831 -6992.347216926052 21.72 21.72 65.16
     16000  16       1536  296.6972729853479 309.9120996626293 275.9272374680669 -7050.386678110392 58.86898842923766 -6991.517689681154 -47.0082497835946 46.17848127000054 -0.8297685135940611 -6992.347458194748 21.72 21.72 65.16
     17000  17       1536  296.1520795281564 324.2819682053907 282.9142086972763 -7049.931521198205 58.76081423875668 -6991.170706959448 -48.48363157244932 47.30887978498161 -1.174751787467713 -6992.345458746915 21.72 21.72 65.16
     18000  18       1536  299.0739700298835 324.5176189466537 281.4778702688133 -7050.263476095599 59.3405591632952 -6990.922916932303 -51.83060948992016 50.40630424992641 -1.424305239993743 -6992.347222172297 21.72 21.72 65.16
     19000  19       1536  301.7488241944246 327.5076133927548 267.4032738066941 -7050.363006063035 59.87128854033954 -6990.491717522696 -55.7616572515334 53.90396282189561 -1.857694429637789 -6992.349411952333 21.72 21.72 65.16
     20000  20       1536  294.5510653785761 319.5626316952854 260.0348263412777 -7048.734598038474 58.44315010083471 -6990.29144793764 -57.43144762220351 55.37694524978501 -2.054502372418504 -6992.345950310058 21.72 21.72 65.16
     21000  21       1536  301.2978013395263 347.3186527131117 270.0942429492533 -7049.825743769143 59.78179914611905 -6990.043944623024 -60.20300451335793 57.89884890525793 -2.304155608100004 -6992.348100231124 21.72 21.72 65.16
     22000  22       1536  311.6127721835376 332.3117235691333 294.5578567432797 -7052.243646230831 61.82843709851443 -6990.415209132316 -61.36757141321158 59.43155613009937 -1.936015283112205 -6992.351224415428 21.72 21.72 65.16
     23000  23       1536  309.2922650802942 337.567629188519 283.5193905701518 -7049.568206275377 61.3680152535939 -6988.200191021783 -65.47395766548894 61.32928351523866 -4.144674150250275 -6992.344865172034 21.72 21.72 65.16
     24000  24       1536  308.1056075953455 322.351043870493 294.7736132961323 -7051.333875791009 61.13256541258925 -6990.201310378419 -68.10591410624524 65.96097081736654 -2.144943288878693 -6992.346253667298 21.72 21.72 65.16
     25000  25       1536  303.924412231226 311.1227332604824 291.5571220408182 -7049.70804742764 60.30295636686376 -6989.405091060777 -72.12641119566656 69.18562722278529 -2.940783972881277 -6992.345875033658 21.72 21.72 65.16
     26000  26       1536  306.8558056851267 301.3497418038947 266.3115019861621 -7051.856995778113 60.88458681322026 -6990.972408964893 -74.53202180466796 73.15763530749247 -1.374386497175493 -6992.346795462068 21.72 21.72 65.16
     27000  27       1536  300.7980471159613 341.4488022704444 258.4857399521566 -7049.069897613062 59.68264075039639 -6989.387256862666 -79.37829769847227 76.42130124535142 -2.956996453120851 -6992.344253315787 21.72 21.72 65.16
     28000  28       1536  309.767374756636 307.0042273943899 304.7447089954682 -7051.593199458984 61.46228381817409 -6990.13091564081 -81.62321939591843 79.40718045215893 -2.2160389437595 -6992.346954584569 21.72 21.72 65.16
     29000  29       1536  310.5712628835192 298.0492631882254 304.4510320379853 -7047.848254686438 61.6217867362957 -6986.226467950142 -85.64250763765551 79.52802842263351 -6.114479215022001 -6992.340947165164 21.72 21.72 65.16
     30000  30       1536  303.3968189768369 338.151202635878 282.4333611817393 -7050.456076373695 60.198274308699 -6990.257802064996 -87.39981344265155 85.31427124890914 -2.085542193742413 -6992.343344258738 21.72 21.72 65.16
     31000  31       1536  302.6047483402392 304.4502957958778 292.032838578462 -7051.910296332489 60.04111614990693 -6991.869180182583 -88.65875367577407 88.18216713565157 -0.4765865401224971 -6992.345766722705 21.72 21.72 65.16
     32000  32       1536  300.2328205407451 333.910820181296 247.9088586001712 -7051.890140509589 59.57049170237349 -6992.319648807216 -91.59852918979043 91.57339029754196 -0.02513889224846366 -6992.344787699465 21.72 21.72 65.16
     33000  33       1536  299.6455165906691 309.0609591831088 293.2467950716053 -7050.712194680869 59.45396218697354 -6991.258232493896 -94.2375993471252 93.15312499616053 -1.084474350964669 -6992.34270684486 21.72 21.72 65.16
     34000  34       1536  306.3921340212796 337.0529971400859 317.5425740962992 -7053.242944539987 60.7925877141408 -6992.450356825846 -97.05281198374473 97.15797862058129 0.1051666368365574 -6992.345190189009 21.72 21.72 65.16
     35000  35       1536  305.9568174554788 360.6042264722627 274.1831468557808 -7052.950656162227 60.70621467263177 -6992.244441489595 -100.2147634761271 100.1134219926045 -0.101341483522603 -6992.345782973118 21.72 21.72 65.16
     36000  36       1536  289.639171393849 308.415796955849 259.08879996504 -7051.073867122709 57.46855998329487 -6993.605307139414 -102.2020103931389 103.465576325419 1.263565932280088 -6992.341741207134 21.72 21.72 65.16
     37000  37       1536  292.4619689708489 321.1195477181445 254.594441873818 -7051.778982008344 58.02864345230167 -6993.750338556043 -104.9244486191462 106.3330971929789 1.408648573832636 -6992.34168998221 21.72 21.72 65.16
     38000  38       1536  297.9105149175872 299.3962085476807 286.8439799143792 -7053.13935168195 59.10971300534251 -6994.029638676608 -107.0227201960099 108.7057144427949 1.682994246785043 -6992.346644429823 21.72 21.72 65.16
     39000  39       1536  296.2564439711946 354.5762897796869 288.0359212663673 -7052.158754470622 58.78152163902303 -6993.377232831599 -111.0875979497924 112.1199954712683 1.032397521475872 -6992.344835310123 21.72 21.72 65.16
     40000  40       1536  294.514973688192 293.0065374853306 282.75163542456 -7050.020127581945 58.43598899253656 -6991.584138589408 -115.9024452804975 115.1472620676107 -0.7551832128868483 -6992.339321802295 21.72 21.72 65.16
     41000  41       1536  290.7931555686392 307.5404122746304 300.8968726387579 -7049.392226384284 57.69752697159815 -6991.694699412686 -120.0846156564747 119.4351664847407 -0.6494491717339628 -6992.34414858442 21.72 21.72 65.16
     42000  42       1536  297.9669933084162 310.3990463353247 313.7146108533024 -7051.559065882149 59.12091912699898 -6992.43814675515 -122.0040110356107 122.0992313812846 0.0952203456738232 -6992.342926409477 21.72 21.72 65.16
     43000  43       1536  303.448560943454 332.1330475554214 259.0718441002246 -7051.961977801513 60.20854065595403 -6991.753437145559 -126.4417328336028 125.852261190141 -0.5894716434617777 -6992.342908789021 21.72 21.72 65.16
     44000  44       1536  303.0276650846008 329.7346554614361 302.2350591425591 -7051.921556219198 60.12502888924504 -6991.796527329952 -128.3403009404835 127.7895050548259 -0.5507958856576352 -6992.34732321561 21.72 21.72 65.16
     45000  45       1536  305.9201029480291 341.1264543327613 304.7785790281592 -7050.55488929322 60.69892998850746 -6989.855959304713 -132.959363842249 130.4747188705987 -2.48464497165034 -6992.340604276364 21.72 21.72 65.16
     46000  46       1536  299.4305752892639 322.6028264416735 252.0343629150321 -7051.768624020737 59.41131475426183 -6992.357309266475 -135.5133959467259 135.5277382434149 0.01434229668905118 -6992.342966969785 21.72 21.72 65.16
     47000  47       1536  295.2018684819456 345.1720916271028 314.9161045343996 -7050.123216942961 58.57227875771949 -6991.550938185242 -138.0290640800704 137.2392982545362 -0.7897658255342606 -6992.340704010776 21.72 21.72 65.16
     48000  48       1536  291.9818344253427 276.6629112872885 282.8166453924615 -7051.764394512515 57.93337788171019 -6993.831016630805 -138.4006527407791 139.8896932606911 1.489040519911981 -6992.341976110893 21.72 21.72 65.16
     49000  49       1536  305.3260334799555 309.662399208 282.8701507351739 -7053.661498470516 60.58105809743714 -6993.080440373078 -142.089624713063 142.8228252409662 0.7332005279031932 -6992.347239845175 21.72 21.72 65.16
     50000  50       1536  293.3854420868261 326.1255964238059 260.6624240353942 -7051.096240650701 58.21187374502449 -6992.884366905677 -144.6782721476008 145.2243609686389 0.5460888210380972 -6992.338278084639 21.72 21.72 65.16
Loop time of 31.5259 on 1 procs for 50000 steps with 1536 atoms

Performance: 137.030 ns/day, 0.175 hours/ns, 1586.000 timesteps/s, 2.436 Matom-step/s
100.0% CPU use with 1 MPI tasks x 1 OpenMP threads

MPI task timing breakdown:
Section |  min time  |  avg time  |  max time  |%varavg| %total
---------------------------------------------------------------
Pair    | 2.3643     | 2.3643     | 2.3643     |   0.0 |  7.50
Neigh   | 0.6847     | 0.6847     | 0.6847     |   0.0 |  2.17
Comm    | 5.3906     | 5.3906     | 5.3906     |   0.0 | 17.10
Output  | 0.13415    | 0.13415    | 0.13415    |   0.0 |  0.43
Modify  | 19.462     | 19.462     | 19.462     |   0.0 | 61.73
Other   |            | 3.49       |            |       | 11.07

Nlocal:           1536 ave        1536 max        1536 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost:           1397 ave        1397 max        1397 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs:              0 ave           0 max           0 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs:         6150 ave        6150 max        6150 min
Histogram: 1 0 0 0 0 0 0 0 0 0

Total # of neighbors = 6150
Ave neighs/atom = 4.0039062
Neighbor list builds = 2214
Dangerous builds = 0
System init for write_data ...
Total wall time: 0:00:35
